(2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde

C93H136Cl3F3N22O11 — CID 165061679

About (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde

(2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde (PubChem CID 165061679) has the molecular formula C93H136Cl3F3N22O11 and a molecular weight of 1901.61 g/mol. Its IUPAC name is (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 165061679
• Molecular Formula: C93H136Cl3F3N22O11
• Molecular Weight: 1901.61 g/mol
• Exact Mass: 1898.98
• IUPAC Name: (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde
• SMILES: CCCC[C@@H](N)CO.CCCC[C@H](CO)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2c(C)cc(Cl)nc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2c(C)ccnc12.CCN(C(C)C)C(C)C.COc1ccc(CN)c(OC)c1.Cc1cc(Cl)nc2c(Cl)nc(N)nc12.O=CC(F)(F)F
• InChI: InChI=1S/C23H30ClN5O3.C23H31N5O3.C14H21N5O.C9H13NO2.C8H6Cl2N4.C8H19N.C6H15NO.C2HF3O/c1-5-6-7-16(13-30)26-22-21-20(14(2)10-19(24)27-21)28-23(29-22)25-12-15-8-9-17(31-3)11-18(15)32-4;1-5-6-7-17(14-29)26-22-21-20(15(2)10-11-24-21)27-23(28-22)25-13-16-8-9-18(30-3)12-19(16)31-4;1-3-4-5-10(8-20)17-13-12-11(18-14(15)19-13)9(2)6-7-16-12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-2-4(9)12-6-5(3)13-8(11)14-7(6)10;1-6-9(7(2)3)8(4)5;1-2-3-4-6(7)5-8;3-2(4,5)1-6/h8-11,16,30H,5-7,12-13H2,1-4H3,(H2,25,26,28,29);8-12,17,29H,5-7,13-14H2,1-4H3,(H2,25,26,27,28);6-7,10,20H,3-5,8H2,1-2H3,(H3,15,17,18,19);3-5H,6,10H2,1-2H3;2H,1H3,(H2,11,13,14);7-8H,6H2,1-5H3;6,8H,2-5,7H2,1H3;1H/t16-;17-;10-;;;;6-;/m111...1./s1
• InChIKey: RHSIOULRESTJCT-XARZHGAESA-N
• XLogP: 17.14
• TPSA: 475.52 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 38
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.61
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde (CID 165061679) is (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde is CCCC[C@@H](N)CO.CCCC[C@H](CO)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2c(C)cc(Cl)nc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2c(C)ccnc12.CCN(C(C)C)C(C)C.COc1ccc(CN)c(OC)c1.Cc1cc(Cl)nc2c(Cl)nc(N)nc12.O=CC(F)(F)F.

What is the InChIKey of (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde?

The InChIKey is RHSIOULRESTJCT-XARZHGAESA-N. The full InChI is InChI=1S/C23H30ClN5O3.C23H31N5O3.C14H21N5O.C9H13NO2.C8H6Cl2N4.C8H19N.C6H15NO.C2HF3O/c1-5-6-7-16(13-30)26-22-21-20(14(2)10-19(24)27-21)28-23(29-22)25-12-15-8-9-17(31-3)11-18(15)32-4;1-5-6-7-17(14-29)26-22-21-20(15(2)10-11-24-21)27-23(28-22)25-13-16-8-9-18(30-3)12-19(16)31-4;1-3-4-5-10(8-20)17-13-12-11(18-14(15)19-13)9(2)6-7-16-12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-2-4(9)12-6-5(3)13-8(11)14-7(6)10;1-6-9(7(2)3)8(4)5;1-2-3-4-6(7)5-8;3-2(4,5)1-6/h8-11,16,30H,5-7,12-13H2,1-4H3,(H2,25,26,28,29);8-12,17,29H,5-7,13-14H2,1-4H3,(H2,25,26,27,28);6-7,10,20H,3-5,8H2,1-2H3,(H3,15,17,18,19);3-5H,6,10H2,1-2H3;2H,1H3,(H2,11,13,14);7-8H,6H2,1-5H3;6,8H,2-5,7H2,1H3;1H/t16-;17-;10-;;;;6-;/m111...1./s1.

What are the key properties of (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde?

(2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde has a molecular weight of 1901.61 g/mol, XLogP of 17.14, 38 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 165061679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).